USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.19) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -123:sc= 1.19 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.601 K(o=1.8,f=-0.47!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 24 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.0075) USER MOD Single : A 28 SER OG : rot 180:sc= 0.44 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.0483 X(o=-0.048,f=-0.5) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.811 K(o=0.81,f=-0.6) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0.922 (180deg=0.911) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 151:sc= 0.857 USER MOD ----------------------------------------------------------------- ATOM 8 N ALA A 12 1.271 2.371 -0.637 1.00 0.00 N ATOM 9 CA ALA A 12 1.699 3.760 -0.745 1.00 0.00 C ATOM 10 C ALA A 12 1.863 4.395 0.630 1.00 0.00 C ATOM 11 O ALA A 12 2.821 5.127 0.876 1.00 0.00 O ATOM 12 CB ALA A 12 0.712 4.556 -1.586 1.00 0.00 C ATOM 0 HA ALA A 12 2.671 3.775 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.046 5.591 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.654 4.124 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.273 4.524 -1.119 1.00 0.00 H new ATOM 18 N PRO A 13 0.921 4.110 1.523 1.00 0.00 N ATOM 19 CA PRO A 13 0.976 4.627 2.885 1.00 0.00 C ATOM 20 C PRO A 13 2.287 4.255 3.565 1.00 0.00 C ATOM 21 O PRO A 13 2.881 5.066 4.276 1.00 0.00 O ATOM 22 CB PRO A 13 -0.233 3.989 3.576 1.00 0.00 C ATOM 23 CG PRO A 13 -1.194 3.717 2.470 1.00 0.00 C ATOM 24 CD PRO A 13 -0.345 3.297 1.299 1.00 0.00 C ATOM 0 HA PRO A 13 0.940 5.716 2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.045 3.072 4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.664 4.659 4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.899 2.933 2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.781 4.604 2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.148 2.225 1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.818 3.532 0.346 1.00 0.00 H new ATOM 32 N GLY A 14 2.734 3.024 3.341 1.00 0.00 N ATOM 33 CA GLY A 14 3.976 2.541 3.934 1.00 0.00 C ATOM 34 C GLY A 14 5.184 3.245 3.330 1.00 0.00 C ATOM 35 O GLY A 14 6.123 3.607 4.040 1.00 0.00 O ATOM 0 H GLY A 14 2.255 2.342 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.956 2.706 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.063 1.466 3.778 1.00 0.00 H new ATOM 39 N ILE A 15 5.156 3.436 2.015 1.00 0.00 N ATOM 40 CA ILE A 15 6.232 4.130 1.318 1.00 0.00 C ATOM 41 C ILE A 15 6.329 5.584 1.764 1.00 0.00 C ATOM 42 O ILE A 15 7.421 6.096 2.009 1.00 0.00 O ATOM 43 CB ILE A 15 6.039 4.083 -0.209 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.208 2.651 -0.724 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.020 5.020 -0.898 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.751 2.458 -2.152 1.00 0.00 C ATOM 0 H ILE A 15 4.398 3.119 1.410 1.00 0.00 H new ATOM 0 HA ILE A 15 7.157 3.613 1.573 1.00 0.00 H new ATOM 0 HB ILE A 15 5.027 4.415 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.258 2.369 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.648 1.974 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.870 4.975 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.854 6.040 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.040 4.718 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.902 1.419 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.693 2.708 -2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.328 3.108 -2.810 1.00 0.00 H new ATOM 58 N ILE A 16 5.180 6.244 1.867 1.00 0.00 N ATOM 59 CA ILE A 16 5.138 7.656 2.227 1.00 0.00 C ATOM 60 C ILE A 16 5.555 7.867 3.677 1.00 0.00 C ATOM 61 O ILE A 16 6.334 8.769 3.983 1.00 0.00 O ATOM 62 CB ILE A 16 3.734 8.251 2.013 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.396 8.299 0.520 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.646 9.640 2.627 1.00 0.00 C ATOM 65 CD1 ILE A 16 1.943 8.600 0.234 1.00 0.00 C ATOM 0 H ILE A 16 4.265 5.823 1.706 1.00 0.00 H new ATOM 0 HA ILE A 16 5.843 8.169 1.573 1.00 0.00 H new ATOM 0 HB ILE A 16 3.006 7.610 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.016 9.057 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.655 7.342 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.647 10.046 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.845 9.578 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.382 10.292 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.780 8.618 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.317 7.829 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.683 9.571 0.656 1.00 0.00 H new ATOM 77 N LEU A 17 5.029 7.030 4.565 1.00 0.00 N ATOM 78 CA LEU A 17 5.374 7.100 5.981 1.00 0.00 C ATOM 79 C LEU A 17 6.877 6.954 6.188 1.00 0.00 C ATOM 80 O LEU A 17 7.511 7.802 6.816 1.00 0.00 O ATOM 81 CB LEU A 17 4.620 6.019 6.764 1.00 0.00 C ATOM 82 CG LEU A 17 4.913 5.979 8.269 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.474 7.282 8.922 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.197 4.792 8.895 1.00 0.00 C ATOM 0 H LEU A 17 4.362 6.295 4.330 1.00 0.00 H new ATOM 0 HA LEU A 17 5.076 8.080 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.550 6.170 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.864 5.046 6.337 1.00 0.00 H new ATOM 0 HG LEU A 17 5.985 5.864 8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.686 7.243 9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.017 8.114 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.404 7.423 8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.406 4.764 9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.123 4.890 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.549 3.870 8.433 1.00 0.00 H new ATOM 96 N ARG A 18 7.440 5.874 5.658 1.00 0.00 N ATOM 97 CA ARG A 18 8.880 5.654 5.715 1.00 0.00 C ATOM 98 C ARG A 18 9.641 6.832 5.117 1.00 0.00 C ATOM 99 O ARG A 18 10.628 7.297 5.685 1.00 0.00 O ATOM 100 CB ARG A 18 9.287 4.341 5.066 1.00 0.00 C ATOM 101 CG ARG A 18 10.781 4.056 5.079 1.00 0.00 C ATOM 102 CD ARG A 18 11.158 2.738 4.508 1.00 0.00 C ATOM 103 NE ARG A 18 12.591 2.505 4.423 1.00 0.00 N ATOM 104 CZ ARG A 18 13.156 1.376 3.953 1.00 0.00 C ATOM 105 NH1 ARG A 18 12.418 0.363 3.560 1.00 0.00 N ATOM 106 NH2 ARG A 18 14.475 1.307 3.919 1.00 0.00 N ATOM 0 H ARG A 18 6.920 5.136 5.183 1.00 0.00 H new ATOM 0 HA ARG A 18 9.151 5.581 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.772 3.526 5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.941 4.341 4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.293 4.840 4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.140 4.109 6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.710 1.952 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.729 2.653 3.510 1.00 0.00 H new ATOM 0 HE ARG A 18 13.212 3.249 4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.401 0.424 3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.862 -0.485 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.035 2.095 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.933 0.466 3.569 1.00 0.00 H new ATOM 120 N TYR A 19 9.174 7.309 3.969 1.00 0.00 N ATOM 121 CA TYR A 19 9.802 8.441 3.298 1.00 0.00 C ATOM 122 C TYR A 19 9.895 9.647 4.223 1.00 0.00 C ATOM 123 O TYR A 19 10.962 10.240 4.381 1.00 0.00 O ATOM 124 CB TYR A 19 9.026 8.810 2.031 1.00 0.00 C ATOM 125 CG TYR A 19 9.477 10.104 1.392 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.636 10.158 0.630 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.740 11.269 1.549 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.052 11.337 0.045 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.146 12.454 0.967 1.00 0.00 C ATOM 130 CZ TYR A 19 10.304 12.485 0.215 1.00 0.00 C ATOM 131 OH TYR A 19 10.712 13.662 -0.367 1.00 0.00 O ATOM 0 H TYR A 19 8.362 6.929 3.483 1.00 0.00 H new ATOM 0 HA TYR A 19 10.814 8.145 3.021 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.129 8.003 1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.966 8.886 2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.223 9.262 0.492 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.834 11.249 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.958 11.361 -0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.561 13.352 1.099 1.00 0.00 H new ATOM 0 HH TYR A 19 10.823 14.347 0.324 1.00 0.00 H new ATOM 141 N LEU A 20 8.771 10.006 4.833 1.00 0.00 N ATOM 142 CA LEU A 20 8.698 11.203 5.661 1.00 0.00 C ATOM 143 C LEU A 20 9.556 11.063 6.912 1.00 0.00 C ATOM 144 O LEU A 20 10.147 12.034 7.384 1.00 0.00 O ATOM 145 CB LEU A 20 7.241 11.496 6.045 1.00 0.00 C ATOM 146 CG LEU A 20 6.343 11.963 4.891 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.896 12.045 5.357 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.826 13.315 4.386 1.00 0.00 C ATOM 0 H LEU A 20 7.897 9.484 4.769 1.00 0.00 H new ATOM 0 HA LEU A 20 9.087 12.039 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.808 10.595 6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.233 12.260 6.822 1.00 0.00 H new ATOM 0 HG LEU A 20 6.397 11.244 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.266 12.377 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.566 11.062 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.819 12.755 6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.188 13.646 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.783 14.043 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.853 13.226 4.033 1.00 0.00 H new ATOM 160 N GLN A 21 9.621 9.847 7.444 1.00 0.00 N ATOM 161 CA GLN A 21 10.393 9.581 8.653 1.00 0.00 C ATOM 162 C GLN A 21 11.889 9.666 8.381 1.00 0.00 C ATOM 163 O GLN A 21 12.649 10.190 9.195 1.00 0.00 O ATOM 164 CB GLN A 21 10.047 8.199 9.215 1.00 0.00 C ATOM 165 CG GLN A 21 8.684 8.121 9.881 1.00 0.00 C ATOM 166 CD GLN A 21 8.348 6.718 10.349 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.035 5.752 10.004 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.284 6.596 11.136 1.00 0.00 N ATOM 0 H GLN A 21 9.149 9.030 7.057 1.00 0.00 H new ATOM 0 HA GLN A 21 10.132 10.343 9.388 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.086 7.470 8.406 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.810 7.912 9.939 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.660 8.801 10.733 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.921 8.460 9.181 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.745 7.422 11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.007 5.677 11.480 1.00 0.00 H new ATOM 177 N GLU A 22 12.306 9.147 7.231 1.00 0.00 N ATOM 178 CA GLU A 22 13.717 9.133 6.864 1.00 0.00 C ATOM 179 C GLU A 22 14.204 10.530 6.494 1.00 0.00 C ATOM 180 O GLU A 22 15.344 10.895 6.778 1.00 0.00 O ATOM 181 CB GLU A 22 13.959 8.168 5.701 1.00 0.00 C ATOM 182 CG GLU A 22 13.885 6.696 6.082 1.00 0.00 C ATOM 183 CD GLU A 22 14.146 5.811 4.895 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.218 6.321 3.802 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.386 4.643 5.091 1.00 0.00 O ATOM 0 H GLU A 22 11.686 8.730 6.537 1.00 0.00 H new ATOM 0 HA GLU A 22 14.283 8.792 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.224 8.367 4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.941 8.372 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.614 6.483 6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.901 6.474 6.495 1.00 0.00 H new ATOM 192 N GLN A 23 13.331 11.306 5.860 1.00 0.00 N ATOM 193 CA GLN A 23 13.683 12.650 5.418 1.00 0.00 C ATOM 194 C GLN A 23 13.637 13.640 6.575 1.00 0.00 C ATOM 195 O GLN A 23 14.480 14.530 6.675 1.00 0.00 O ATOM 196 CB GLN A 23 12.737 13.112 4.305 1.00 0.00 C ATOM 197 CG GLN A 23 12.872 12.330 3.009 1.00 0.00 C ATOM 198 CD GLN A 23 14.276 12.395 2.438 1.00 0.00 C ATOM 199 OE1 GLN A 23 14.874 13.470 2.343 1.00 0.00 O ATOM 200 NE2 GLN A 23 14.809 11.241 2.049 1.00 0.00 N ATOM 0 H GLN A 23 12.375 11.027 5.641 1.00 0.00 H new ATOM 0 HA GLN A 23 14.702 12.616 5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.710 13.031 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.922 14.167 4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.603 11.289 3.186 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.166 12.721 2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.278 10.376 2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.749 11.221 1.653 1.00 0.00 H new ATOM 209 N ASN A 24 12.647 13.478 7.446 1.00 0.00 N ATOM 210 CA ASN A 24 12.484 14.363 8.593 1.00 0.00 C ATOM 211 C ASN A 24 12.177 15.787 8.152 1.00 0.00 C ATOM 212 O ASN A 24 12.540 16.749 8.828 1.00 0.00 O ATOM 213 CB ASN A 24 13.712 14.344 9.486 1.00 0.00 C ATOM 214 CG ASN A 24 13.934 13.030 10.183 1.00 0.00 C ATOM 215 OD1 ASN A 24 13.066 12.537 10.913 1.00 0.00 O ATOM 216 ND2 ASN A 24 15.121 12.502 10.027 1.00 0.00 N ATOM 0 H ASN A 24 11.945 12.741 7.379 1.00 0.00 H new ATOM 0 HA ASN A 24 11.637 13.990 9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.591 14.579 8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.618 15.131 10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.366 11.643 10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.801 12.949 9.412 1.00 0.00 H new ATOM 223 N ARG A 25 11.503 15.916 7.013 1.00 0.00 N ATOM 224 CA ARG A 25 11.193 17.225 6.451 1.00 0.00 C ATOM 225 C ARG A 25 9.762 17.275 5.929 1.00 0.00 C ATOM 226 O ARG A 25 9.222 16.266 5.476 1.00 0.00 O ATOM 227 CB ARG A 25 12.191 17.641 5.380 1.00 0.00 C ATOM 228 CG ARG A 25 13.616 17.827 5.873 1.00 0.00 C ATOM 229 CD ARG A 25 13.810 19.006 6.757 1.00 0.00 C ATOM 230 NE ARG A 25 15.193 19.260 7.129 1.00 0.00 N ATOM 231 CZ ARG A 25 15.820 18.689 8.176 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.185 17.862 8.977 1.00 0.00 N ATOM 233 NH2 ARG A 25 17.086 19.000 8.390 1.00 0.00 N ATOM 0 H ARG A 25 11.161 15.129 6.461 1.00 0.00 H new ATOM 0 HA ARG A 25 11.279 17.950 7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.190 16.889 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.852 18.575 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.921 16.930 6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.276 17.922 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.414 19.889 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.223 18.864 7.664 1.00 0.00 H new ATOM 0 HE ARG A 25 15.725 19.916 6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.203 17.644 8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.675 17.438 9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.562 19.656 7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.588 18.584 9.175 1.00 0.00 H new ATOM 247 N PRO A 26 9.154 18.454 5.996 1.00 0.00 N ATOM 248 CA PRO A 26 7.800 18.647 5.493 1.00 0.00 C ATOM 249 C PRO A 26 7.772 18.652 3.969 1.00 0.00 C ATOM 250 O PRO A 26 8.622 19.268 3.326 1.00 0.00 O ATOM 251 CB PRO A 26 7.370 19.995 6.081 1.00 0.00 C ATOM 252 CG PRO A 26 8.645 20.750 6.247 1.00 0.00 C ATOM 253 CD PRO A 26 9.678 19.717 6.607 1.00 0.00 C ATOM 0 HA PRO A 26 7.124 17.842 5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.682 20.518 5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.857 19.867 7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.915 21.272 5.329 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.556 21.505 7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.658 19.977 6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.788 19.622 7.687 1.00 0.00 H new ATOM 261 N TYR A 27 6.792 17.961 3.398 1.00 0.00 N ATOM 262 CA TYR A 27 6.608 17.945 1.952 1.00 0.00 C ATOM 263 C TYR A 27 5.142 18.132 1.581 1.00 0.00 C ATOM 264 O TYR A 27 4.253 17.580 2.230 1.00 0.00 O ATOM 265 CB TYR A 27 7.137 16.638 1.358 1.00 0.00 C ATOM 266 CG TYR A 27 8.632 16.460 1.502 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.506 17.018 0.581 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.166 15.735 2.557 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.873 16.859 0.706 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.531 15.570 2.694 1.00 0.00 C ATOM 271 CZ TYR A 27 11.381 16.134 1.764 1.00 0.00 C ATOM 272 OH TYR A 27 12.742 15.972 1.894 1.00 0.00 O ATOM 0 H TYR A 27 6.112 17.404 3.915 1.00 0.00 H new ATOM 0 HA TYR A 27 7.175 18.778 1.536 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.633 15.801 1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.877 16.599 0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.111 17.587 -0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.503 15.291 3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.540 17.300 -0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.930 15.004 3.523 1.00 0.00 H new ATOM 0 HH TYR A 27 13.202 16.749 1.513 1.00 0.00 H new ATOM 282 N SER A 28 4.897 18.914 0.535 1.00 0.00 N ATOM 283 CA SER A 28 3.540 19.147 0.055 1.00 0.00 C ATOM 284 C SER A 28 2.957 17.892 -0.582 1.00 0.00 C ATOM 285 O SER A 28 3.679 16.938 -0.869 1.00 0.00 O ATOM 286 CB SER A 28 3.526 20.296 -0.933 1.00 0.00 C ATOM 287 OG SER A 28 4.083 19.935 -2.168 1.00 0.00 O ATOM 0 H SER A 28 5.621 19.397 0.003 1.00 0.00 H new ATOM 0 HA SER A 28 2.918 19.407 0.911 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.500 20.633 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.080 21.138 -0.518 1.00 0.00 H new ATOM 0 HG SER A 28 4.054 20.702 -2.777 1.00 0.00 H new ATOM 293 N ALA A 29 1.647 17.899 -0.799 1.00 0.00 N ATOM 294 CA ALA A 29 0.983 16.816 -1.516 1.00 0.00 C ATOM 295 C ALA A 29 1.633 16.574 -2.872 1.00 0.00 C ATOM 296 O ALA A 29 1.716 15.438 -3.338 1.00 0.00 O ATOM 297 CB ALA A 29 -0.499 17.120 -1.681 1.00 0.00 C ATOM 0 H ALA A 29 1.023 18.643 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 29 1.090 15.905 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.981 16.303 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.959 17.230 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.620 18.045 -2.244 1.00 0.00 H new ATOM 303 N GLN A 30 2.094 17.650 -3.502 1.00 0.00 N ATOM 304 CA GLN A 30 2.742 17.556 -4.805 1.00 0.00 C ATOM 305 C GLN A 30 4.188 17.097 -4.670 1.00 0.00 C ATOM 306 O GLN A 30 4.695 16.355 -5.511 1.00 0.00 O ATOM 307 CB GLN A 30 2.692 18.906 -5.526 1.00 0.00 C ATOM 308 CG GLN A 30 1.300 19.330 -5.960 1.00 0.00 C ATOM 309 CD GLN A 30 1.296 20.679 -6.653 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.335 21.336 -6.770 1.00 0.00 O ATOM 311 NE2 GLN A 30 0.124 21.103 -7.114 1.00 0.00 N ATOM 0 H GLN A 30 2.031 18.598 -3.131 1.00 0.00 H new ATOM 0 HA GLN A 30 2.199 16.815 -5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.104 19.672 -4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.336 18.860 -6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.887 18.578 -6.632 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.647 19.371 -5.088 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.709 20.527 -6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.058 22.004 -7.587 1.00 0.00 H new ATOM 320 N ASP A 31 4.847 17.543 -3.605 1.00 0.00 N ATOM 321 CA ASP A 31 6.223 17.144 -3.335 1.00 0.00 C ATOM 322 C ASP A 31 6.335 15.635 -3.159 1.00 0.00 C ATOM 323 O ASP A 31 7.185 14.990 -3.773 1.00 0.00 O ATOM 324 CB ASP A 31 6.754 17.860 -2.091 1.00 0.00 C ATOM 325 CG ASP A 31 6.999 19.351 -2.278 1.00 0.00 C ATOM 326 OD1 ASP A 31 7.068 19.784 -3.404 1.00 0.00 O ATOM 327 OD2 ASP A 31 6.958 20.066 -1.306 1.00 0.00 O ATOM 0 H ASP A 31 4.450 18.181 -2.915 1.00 0.00 H new ATOM 0 HA ASP A 31 6.828 17.432 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.044 17.721 -1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.687 17.387 -1.785 1.00 0.00 H new ATOM 332 N VAL A 32 5.472 15.077 -2.317 1.00 0.00 N ATOM 333 CA VAL A 32 5.514 13.653 -2.009 1.00 0.00 C ATOM 334 C VAL A 32 5.215 12.813 -3.243 1.00 0.00 C ATOM 335 O VAL A 32 5.905 11.831 -3.519 1.00 0.00 O ATOM 336 CB VAL A 32 4.514 13.286 -0.895 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.444 11.776 -0.719 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.902 13.957 0.412 1.00 0.00 C ATOM 0 H VAL A 32 4.734 15.590 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 32 6.525 13.437 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 32 3.527 13.645 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.733 11.534 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.119 11.316 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.429 11.395 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.185 13.686 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.898 13.628 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.902 15.039 0.280 1.00 0.00 H new ATOM 348 N PHE A 33 4.184 13.203 -3.984 1.00 0.00 N ATOM 349 CA PHE A 33 3.823 12.516 -5.218 1.00 0.00 C ATOM 350 C PHE A 33 4.966 12.554 -6.224 1.00 0.00 C ATOM 351 O PHE A 33 5.420 11.514 -6.702 1.00 0.00 O ATOM 352 CB PHE A 33 2.565 13.138 -5.828 1.00 0.00 C ATOM 353 CG PHE A 33 2.311 12.723 -7.249 1.00 0.00 C ATOM 354 CD1 PHE A 33 2.101 11.389 -7.570 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.283 13.663 -8.268 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.867 11.007 -8.877 1.00 0.00 C ATOM 357 CE2 PHE A 33 2.049 13.283 -9.574 1.00 0.00 C ATOM 358 CZ PHE A 33 1.841 11.953 -9.879 1.00 0.00 C ATOM 0 H PHE A 33 3.582 13.993 -3.751 1.00 0.00 H new ATOM 0 HA PHE A 33 3.620 11.474 -4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.703 12.863 -5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.651 14.224 -5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.121 10.642 -6.790 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.446 14.705 -8.037 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.704 9.966 -9.114 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.029 14.026 -10.357 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.658 11.654 -10.901 1.00 0.00 H new ATOM 368 N GLY A 34 5.429 13.759 -6.542 1.00 0.00 N ATOM 369 CA GLY A 34 6.449 13.943 -7.566 1.00 0.00 C ATOM 370 C GLY A 34 7.688 13.107 -7.265 1.00 0.00 C ATOM 371 O GLY A 34 8.245 12.462 -8.153 1.00 0.00 O ATOM 0 H GLY A 34 5.112 14.624 -6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.046 13.663 -8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.723 14.996 -7.625 1.00 0.00 H new ATOM 375 N ASN A 35 8.115 13.123 -6.006 1.00 0.00 N ATOM 376 CA ASN A 35 9.341 12.445 -5.605 1.00 0.00 C ATOM 377 C ASN A 35 9.176 10.932 -5.656 1.00 0.00 C ATOM 378 O ASN A 35 10.075 10.214 -6.094 1.00 0.00 O ATOM 379 CB ASN A 35 9.786 12.877 -4.219 1.00 0.00 C ATOM 380 CG ASN A 35 10.356 14.268 -4.172 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.731 14.841 -5.201 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.498 14.780 -2.976 1.00 0.00 N ATOM 0 H ASN A 35 7.629 13.599 -5.246 1.00 0.00 H new ATOM 0 HA ASN A 35 10.115 12.732 -6.317 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.935 12.820 -3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.535 12.175 -3.852 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.936 15.694 -2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.171 14.265 -2.159 1.00 0.00 H new ATOM 389 N LEU A 36 8.021 10.451 -5.208 1.00 0.00 N ATOM 390 CA LEU A 36 7.760 9.019 -5.143 1.00 0.00 C ATOM 391 C LEU A 36 7.227 8.495 -6.470 1.00 0.00 C ATOM 392 O LEU A 36 7.125 7.285 -6.676 1.00 0.00 O ATOM 393 CB LEU A 36 6.770 8.711 -4.012 1.00 0.00 C ATOM 394 CG LEU A 36 7.248 9.093 -2.604 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.168 8.770 -1.581 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.535 8.348 -2.284 1.00 0.00 C ATOM 0 H LEU A 36 7.249 11.034 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 36 8.703 8.513 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.836 9.234 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.547 7.644 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 36 7.445 10.164 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.516 9.044 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.264 9.331 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.949 7.702 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.874 8.620 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.354 7.274 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.301 8.616 -3.012 1.00 0.00 H new ATOM 408 N GLN A 37 6.888 9.412 -7.370 1.00 0.00 N ATOM 409 CA GLN A 37 6.488 9.048 -8.723 1.00 0.00 C ATOM 410 C GLN A 37 7.667 8.494 -9.515 1.00 0.00 C ATOM 411 O GLN A 37 7.521 7.537 -10.275 1.00 0.00 O ATOM 412 CB GLN A 37 5.900 10.258 -9.453 1.00 0.00 C ATOM 413 CG GLN A 37 5.435 9.965 -10.870 1.00 0.00 C ATOM 414 CD GLN A 37 4.927 11.206 -11.580 1.00 0.00 C ATOM 415 OE1 GLN A 37 5.082 12.327 -11.088 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.313 11.012 -12.741 1.00 0.00 N ATOM 0 H GLN A 37 6.883 10.415 -7.185 1.00 0.00 H new ATOM 0 HA GLN A 37 5.727 8.272 -8.645 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.057 10.641 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.650 11.049 -9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.260 9.536 -11.439 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.644 9.216 -10.842 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.207 10.067 -13.110 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.947 11.808 -13.264 1.00 0.00 H new ATOM 425 N LYS A 38 8.835 9.100 -9.330 1.00 0.00 N ATOM 426 CA LYS A 38 10.028 8.704 -10.068 1.00 0.00 C ATOM 427 C LYS A 38 10.734 7.538 -9.388 1.00 0.00 C ATOM 428 O LYS A 38 11.345 6.700 -10.050 1.00 0.00 O ATOM 429 CB LYS A 38 10.986 9.888 -10.211 1.00 0.00 C ATOM 430 CG LYS A 38 10.440 11.043 -11.039 1.00 0.00 C ATOM 431 CD LYS A 38 11.452 12.174 -11.147 1.00 0.00 C ATOM 432 CE LYS A 38 10.894 13.343 -11.945 1.00 0.00 C ATOM 433 NZ LYS A 38 11.862 14.469 -12.033 1.00 0.00 N ATOM 0 H LYS A 38 8.981 9.868 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 38 9.715 8.380 -11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.239 10.257 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.912 9.537 -10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.181 10.688 -12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.522 11.416 -10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.730 12.512 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.361 11.807 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.637 13.007 -12.949 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.972 13.693 -11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.443 15.245 -12.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.089 14.808 -11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.732 14.143 -12.500 1.00 0.00 H new ATOM 447 N GLU A 39 10.647 7.491 -8.063 1.00 0.00 N ATOM 448 CA GLU A 39 11.378 6.502 -7.281 1.00 0.00 C ATOM 449 C GLU A 39 10.630 5.177 -7.229 1.00 0.00 C ATOM 450 O GLU A 39 11.213 4.114 -7.442 1.00 0.00 O ATOM 451 CB GLU A 39 11.631 7.020 -5.864 1.00 0.00 C ATOM 452 CG GLU A 39 12.618 8.177 -5.783 1.00 0.00 C ATOM 453 CD GLU A 39 12.820 8.624 -4.362 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.227 8.042 -3.486 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.651 9.473 -4.141 1.00 0.00 O ATOM 0 H GLU A 39 10.076 8.128 -7.508 1.00 0.00 H new ATOM 0 HA GLU A 39 12.336 6.332 -7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.682 7.337 -5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.002 6.199 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.574 7.873 -6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.253 9.012 -6.381 1.00 0.00 H new ATOM 462 N HIS A 40 9.335 5.247 -6.942 1.00 0.00 N ATOM 463 CA HIS A 40 8.537 4.049 -6.704 1.00 0.00 C ATOM 464 C HIS A 40 7.493 3.857 -7.796 1.00 0.00 C ATOM 465 O HIS A 40 7.193 2.730 -8.191 1.00 0.00 O ATOM 466 CB HIS A 40 7.855 4.116 -5.334 1.00 0.00 C ATOM 467 CG HIS A 40 8.815 4.136 -4.185 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.409 5.295 -3.732 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.284 3.140 -3.398 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.202 5.010 -2.714 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.144 3.710 -2.492 1.00 0.00 N ATOM 0 H HIS A 40 8.815 6.121 -6.868 1.00 0.00 H new ATOM 0 HA HIS A 40 9.213 3.194 -6.720 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.232 5.009 -5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.191 3.259 -5.226 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.030 2.093 -3.469 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.796 5.720 -2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.655 3.210 -1.765 1.00 0.00 H new ATOM 479 N GLY A 41 6.941 4.964 -8.282 1.00 0.00 N ATOM 480 CA GLY A 41 5.950 4.922 -9.351 1.00 0.00 C ATOM 481 C GLY A 41 4.534 4.935 -8.791 1.00 0.00 C ATOM 482 O GLY A 41 3.633 4.302 -9.341 1.00 0.00 O ATOM 0 H GLY A 41 7.164 5.903 -7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.090 5.776 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.098 4.025 -9.952 1.00 0.00 H new ATOM 486 N LEU A 42 4.344 5.658 -7.694 1.00 0.00 N ATOM 487 CA LEU A 42 3.031 5.780 -7.073 1.00 0.00 C ATOM 488 C LEU A 42 2.142 6.744 -7.850 1.00 0.00 C ATOM 489 O LEU A 42 2.618 7.738 -8.398 1.00 0.00 O ATOM 490 CB LEU A 42 3.172 6.240 -5.617 1.00 0.00 C ATOM 491 CG LEU A 42 3.923 5.270 -4.695 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.056 5.870 -3.302 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.182 3.943 -4.643 1.00 0.00 C ATOM 0 H LEU A 42 5.085 6.170 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 42 2.557 4.798 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.687 7.200 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.176 6.407 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 42 4.925 5.097 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.590 5.174 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.609 6.808 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.064 6.059 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.715 3.254 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.175 4.103 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.124 3.519 -5.646 1.00 0.00 H new ATOM 505 N GLY A 43 0.848 6.444 -7.892 1.00 0.00 N ATOM 506 CA GLY A 43 -0.110 7.281 -8.605 1.00 0.00 C ATOM 507 C GLY A 43 -0.477 8.514 -7.790 1.00 0.00 C ATOM 508 O GLY A 43 -0.254 8.558 -6.580 1.00 0.00 O ATOM 0 H GLY A 43 0.438 5.626 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.312 7.587 -9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.009 6.705 -8.823 1.00 0.00 H new ATOM 512 N LYS A 44 -1.044 9.512 -8.459 1.00 0.00 N ATOM 513 CA LYS A 44 -1.399 10.766 -7.807 1.00 0.00 C ATOM 514 C LYS A 44 -2.487 10.554 -6.762 1.00 0.00 C ATOM 515 O LYS A 44 -2.361 10.999 -5.621 1.00 0.00 O ATOM 516 CB LYS A 44 -1.857 11.797 -8.841 1.00 0.00 C ATOM 517 CG LYS A 44 -2.159 13.174 -8.265 1.00 0.00 C ATOM 518 CD LYS A 44 -2.475 14.176 -9.365 1.00 0.00 C ATOM 519 CE LYS A 44 -2.798 15.547 -8.790 1.00 0.00 C ATOM 520 NZ LYS A 44 -3.136 16.532 -9.854 1.00 0.00 N ATOM 0 H LYS A 44 -1.268 9.476 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.510 11.143 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.084 11.897 -9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.750 11.421 -9.340 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.003 13.106 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.304 13.524 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.625 14.255 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.320 13.818 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.634 15.461 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.945 15.910 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.349 17.453 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.329 16.634 -10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.966 16.199 -10.385 1.00 0.00 H new ATOM 534 N ALA A 45 -3.557 9.874 -7.159 1.00 0.00 N ATOM 535 CA ALA A 45 -4.646 9.556 -6.243 1.00 0.00 C ATOM 536 C ALA A 45 -4.172 8.646 -5.117 1.00 0.00 C ATOM 537 O ALA A 45 -4.609 8.779 -3.974 1.00 0.00 O ATOM 538 CB ALA A 45 -5.802 8.914 -6.996 1.00 0.00 C ATOM 0 H ALA A 45 -3.693 9.532 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.993 10.488 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.607 8.683 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.168 9.603 -7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.460 7.996 -7.473 1.00 0.00 H new ATOM 544 N ALA A 46 -3.275 7.724 -5.447 1.00 0.00 N ATOM 545 CA ALA A 46 -2.728 6.800 -4.460 1.00 0.00 C ATOM 546 C ALA A 46 -1.973 7.543 -3.366 1.00 0.00 C ATOM 547 O ALA A 46 -2.142 7.261 -2.181 1.00 0.00 O ATOM 548 CB ALA A 46 -1.823 5.779 -5.135 1.00 0.00 C ATOM 0 H ALA A 46 -2.911 7.596 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.561 6.275 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.422 5.096 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.396 5.215 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.001 6.294 -5.633 1.00 0.00 H new ATOM 554 N VAL A 47 -1.139 8.495 -3.773 1.00 0.00 N ATOM 555 CA VAL A 47 -0.334 9.263 -2.830 1.00 0.00 C ATOM 556 C VAL A 47 -1.206 10.181 -1.982 1.00 0.00 C ATOM 557 O VAL A 47 -1.068 10.229 -0.760 1.00 0.00 O ATOM 558 CB VAL A 47 0.731 10.107 -3.553 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.375 11.091 -2.588 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.788 9.209 -4.179 1.00 0.00 C ATOM 0 H VAL A 47 -1.003 8.753 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 47 0.166 8.542 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 47 0.242 10.671 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.126 11.680 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.612 11.755 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.850 10.544 -1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.533 9.823 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.272 8.620 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.317 8.541 -4.900 1.00 0.00 H new ATOM 570 N VAL A 48 -2.104 10.908 -2.638 1.00 0.00 N ATOM 571 CA VAL A 48 -2.950 11.879 -1.955 1.00 0.00 C ATOM 572 C VAL A 48 -3.863 11.198 -0.942 1.00 0.00 C ATOM 573 O VAL A 48 -4.031 11.680 0.177 1.00 0.00 O ATOM 574 CB VAL A 48 -3.811 12.678 -2.952 1.00 0.00 C ATOM 575 CG1 VAL A 48 -4.851 13.506 -2.212 1.00 0.00 C ATOM 576 CG2 VAL A 48 -2.934 13.573 -3.816 1.00 0.00 C ATOM 0 H VAL A 48 -2.265 10.843 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.283 12.566 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.330 11.973 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.451 14.064 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.498 12.846 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.350 14.202 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.559 14.130 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.389 14.271 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.225 12.960 -4.373 1.00 0.00 H new ATOM 586 N LYS A 49 -4.449 10.076 -1.344 1.00 0.00 N ATOM 587 CA LYS A 49 -5.322 9.311 -0.462 1.00 0.00 C ATOM 588 C LYS A 49 -4.533 8.664 0.669 1.00 0.00 C ATOM 589 O LYS A 49 -5.011 8.572 1.800 1.00 0.00 O ATOM 590 CB LYS A 49 -6.080 8.243 -1.253 1.00 0.00 C ATOM 591 CG LYS A 49 -7.154 8.792 -2.181 1.00 0.00 C ATOM 592 CD LYS A 49 -7.846 7.674 -2.947 1.00 0.00 C ATOM 593 CE LYS A 49 -8.901 8.224 -3.896 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.597 7.140 -4.643 1.00 0.00 N ATOM 0 H LYS A 49 -4.335 9.676 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.041 10.003 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.365 7.670 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.543 7.549 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.890 9.348 -1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.706 9.494 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.107 7.106 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.311 6.983 -2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.632 8.802 -3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.432 8.908 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.307 7.557 -5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.904 6.604 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.067 6.501 -3.970 1.00 0.00 H new ATOM 608 N ALA A 50 -3.320 8.217 0.358 1.00 0.00 N ATOM 609 CA ALA A 50 -2.448 7.612 1.356 1.00 0.00 C ATOM 610 C ALA A 50 -1.981 8.642 2.377 1.00 0.00 C ATOM 611 O ALA A 50 -1.816 8.331 3.557 1.00 0.00 O ATOM 612 CB ALA A 50 -1.253 6.950 0.684 1.00 0.00 C ATOM 0 H ALA A 50 -2.919 8.263 -0.579 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.020 6.850 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.611 6.503 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.602 6.175 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.689 7.698 0.126 1.00 0.00 H new ATOM 618 N LEU A 51 -1.772 9.871 1.916 1.00 0.00 N ATOM 619 CA LEU A 51 -1.392 10.966 2.802 1.00 0.00 C ATOM 620 C LEU A 51 -2.471 11.229 3.845 1.00 0.00 C ATOM 621 O LEU A 51 -2.175 11.395 5.029 1.00 0.00 O ATOM 622 CB LEU A 51 -1.117 12.235 1.986 1.00 0.00 C ATOM 623 CG LEU A 51 0.213 12.246 1.224 1.00 0.00 C ATOM 624 CD1 LEU A 51 0.235 13.396 0.227 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.365 12.366 2.212 1.00 0.00 C ATOM 0 H LEU A 51 -1.859 10.134 0.934 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.481 10.678 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.928 12.371 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.139 13.092 2.659 1.00 0.00 H new ATOM 0 HG LEU A 51 0.322 11.313 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.184 13.395 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.583 13.277 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.120 14.341 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.310 12.374 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.264 13.292 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.347 11.518 2.897 1.00 0.00 H new ATOM 637 N ASP A 52 -3.721 11.268 3.400 1.00 0.00 N ATOM 638 CA ASP A 52 -4.852 11.438 4.305 1.00 0.00 C ATOM 639 C ASP A 52 -5.065 10.196 5.160 1.00 0.00 C ATOM 640 O ASP A 52 -5.438 10.291 6.329 1.00 0.00 O ATOM 641 CB ASP A 52 -6.125 11.759 3.517 1.00 0.00 C ATOM 642 CG ASP A 52 -6.187 13.181 2.976 1.00 0.00 C ATOM 643 OD1 ASP A 52 -5.412 13.998 3.414 1.00 0.00 O ATOM 644 OD2 ASP A 52 -6.896 13.402 2.023 1.00 0.00 O ATOM 0 H ASP A 52 -3.978 11.184 2.416 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.626 12.273 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.207 11.062 2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.989 11.590 4.160 1.00 0.00 H new ATOM 649 N GLN A 53 -4.827 9.029 4.569 1.00 0.00 N ATOM 650 CA GLN A 53 -4.974 7.766 5.282 1.00 0.00 C ATOM 651 C GLN A 53 -4.035 7.697 6.480 1.00 0.00 C ATOM 652 O GLN A 53 -4.436 7.294 7.571 1.00 0.00 O ATOM 653 CB GLN A 53 -4.701 6.587 4.343 1.00 0.00 C ATOM 654 CG GLN A 53 -4.977 5.226 4.959 1.00 0.00 C ATOM 655 CD GLN A 53 -6.447 5.018 5.270 1.00 0.00 C ATOM 656 OE1 GLN A 53 -7.323 5.467 4.525 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.726 4.339 6.376 1.00 0.00 N ATOM 0 H GLN A 53 -4.531 8.933 3.598 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.000 7.707 5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.313 6.700 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.660 6.625 4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.639 4.446 4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.396 5.121 5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.970 3.986 6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.697 4.170 6.640 1.00 0.00 H new ATOM 666 N LEU A 54 -2.785 8.094 6.268 1.00 0.00 N ATOM 667 CA LEU A 54 -1.789 8.086 7.334 1.00 0.00 C ATOM 668 C LEU A 54 -2.149 9.077 8.433 1.00 0.00 C ATOM 669 O LEU A 54 -2.031 8.772 9.619 1.00 0.00 O ATOM 670 CB LEU A 54 -0.401 8.404 6.763 1.00 0.00 C ATOM 671 CG LEU A 54 0.186 7.331 5.837 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.418 7.874 5.125 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.535 6.093 6.650 1.00 0.00 C ATOM 0 H LEU A 54 -2.437 8.425 5.368 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.772 7.089 7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.458 9.344 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.288 8.562 7.593 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.552 7.058 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.828 7.105 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.141 8.746 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.168 8.160 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.952 5.331 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.268 6.354 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.365 5.706 7.128 1.00 0.00 H new ATOM 685 N ALA A 55 -2.592 10.264 8.030 1.00 0.00 N ATOM 686 CA ALA A 55 -2.911 11.324 8.979 1.00 0.00 C ATOM 687 C ALA A 55 -4.090 10.937 9.862 1.00 0.00 C ATOM 688 O ALA A 55 -4.099 11.215 11.062 1.00 0.00 O ATOM 689 CB ALA A 55 -3.200 12.624 8.244 1.00 0.00 C ATOM 0 H ALA A 55 -2.738 10.516 7.052 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.044 11.471 9.624 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.436 13.405 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.324 12.917 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.047 12.482 7.573 1.00 0.00 H new ATOM 695 N GLN A 56 -5.085 10.291 9.262 1.00 0.00 N ATOM 696 CA GLN A 56 -6.263 9.847 9.997 1.00 0.00 C ATOM 697 C GLN A 56 -5.921 8.704 10.944 1.00 0.00 C ATOM 698 O GLN A 56 -6.558 8.536 11.986 1.00 0.00 O ATOM 699 CB GLN A 56 -7.364 9.404 9.029 1.00 0.00 C ATOM 700 CG GLN A 56 -8.036 10.546 8.287 1.00 0.00 C ATOM 701 CD GLN A 56 -9.032 10.057 7.253 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.241 8.851 7.093 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.650 10.992 6.540 1.00 0.00 N ATOM 0 H GLN A 56 -5.098 10.063 8.268 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.623 10.690 10.587 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.937 8.714 8.301 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.121 8.852 9.586 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.546 11.190 9.003 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.276 11.154 7.796 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.446 11.978 6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.328 10.724 5.827 1.00 0.00 H new ATOM 712 N GLU A 57 -4.913 7.919 10.579 1.00 0.00 N ATOM 713 CA GLU A 57 -4.453 6.821 11.420 1.00 0.00 C ATOM 714 C GLU A 57 -3.499 7.317 12.499 1.00 0.00 C ATOM 715 O GLU A 57 -3.075 6.552 13.365 1.00 0.00 O ATOM 716 CB GLU A 57 -3.773 5.745 10.571 1.00 0.00 C ATOM 717 CG GLU A 57 -4.717 4.972 9.661 1.00 0.00 C ATOM 718 CD GLU A 57 -3.958 4.101 8.699 1.00 0.00 C ATOM 719 OE1 GLU A 57 -2.752 4.148 8.710 1.00 0.00 O ATOM 720 OE2 GLU A 57 -4.578 3.307 8.031 1.00 0.00 O ATOM 0 H GLU A 57 -4.398 8.023 9.705 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.325 6.387 11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.002 6.215 9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.269 5.041 11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.384 4.356 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.343 5.670 9.106 1.00 0.00 H new ATOM 727 N GLY A 58 -3.164 8.602 12.440 1.00 0.00 N ATOM 728 CA GLY A 58 -2.331 9.223 13.463 1.00 0.00 C ATOM 729 C GLY A 58 -0.864 8.856 13.276 1.00 0.00 C ATOM 730 O GLY A 58 -0.090 8.849 14.233 1.00 0.00 O ATOM 0 H GLY A 58 -3.457 9.233 11.694 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.446 10.306 13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.665 8.905 14.451 1.00 0.00 H new ATOM 734 N LYS A 59 -0.489 8.552 12.039 1.00 0.00 N ATOM 735 CA LYS A 59 0.880 8.156 11.729 1.00 0.00 C ATOM 736 C LYS A 59 1.712 9.352 11.285 1.00 0.00 C ATOM 737 O LYS A 59 2.906 9.433 11.575 1.00 0.00 O ATOM 738 CB LYS A 59 0.893 7.076 10.647 1.00 0.00 C ATOM 739 CG LYS A 59 0.332 5.732 11.092 1.00 0.00 C ATOM 740 CD LYS A 59 0.261 4.750 9.932 1.00 0.00 C ATOM 741 CE LYS A 59 -0.135 3.359 10.407 1.00 0.00 C ATOM 742 NZ LYS A 59 -0.540 2.480 9.277 1.00 0.00 N ATOM 0 H LYS A 59 -1.114 8.572 11.233 1.00 0.00 H new ATOM 0 HA LYS A 59 1.324 7.751 12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.319 7.430 9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.918 6.933 10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.958 5.319 11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.663 5.873 11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.461 5.105 9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.229 4.704 9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.702 2.905 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.958 3.439 11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.720 1.519 9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.405 2.855 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.222 2.450 8.570 1.00 0.00 H new ATOM 756 N ILE A 60 1.075 10.281 10.580 1.00 0.00 N ATOM 757 CA ILE A 60 1.715 11.539 10.216 1.00 0.00 C ATOM 758 C ILE A 60 0.829 12.728 10.564 1.00 0.00 C ATOM 759 O ILE A 60 -0.359 12.568 10.845 1.00 0.00 O ATOM 760 CB ILE A 60 2.056 11.587 8.715 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.776 11.548 7.875 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.977 10.435 8.342 1.00 0.00 C ATOM 763 CD1 ILE A 60 1.012 11.733 6.393 1.00 0.00 C ATOM 0 H ILE A 60 0.115 10.186 10.249 1.00 0.00 H new ATOM 0 HA ILE A 60 2.640 11.598 10.790 1.00 0.00 H new ATOM 0 HB ILE A 60 2.575 12.522 8.507 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.275 10.594 8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.099 12.327 8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.208 10.484 7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.900 10.506 8.917 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.484 9.489 8.563 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.059 11.693 5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.484 12.700 6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.663 10.939 6.026 1.00 0.00 H new ATOM 775 N LYS A 61 1.413 13.921 10.541 1.00 0.00 N ATOM 776 CA LYS A 61 0.656 15.149 10.761 1.00 0.00 C ATOM 777 C LYS A 61 0.411 15.887 9.451 1.00 0.00 C ATOM 778 O LYS A 61 1.120 15.676 8.467 1.00 0.00 O ATOM 779 CB LYS A 61 1.388 16.059 11.749 1.00 0.00 C ATOM 780 CG LYS A 61 1.488 15.502 13.163 1.00 0.00 C ATOM 781 CD LYS A 61 2.165 16.490 14.101 1.00 0.00 C ATOM 782 CE LYS A 61 2.125 16.004 15.541 1.00 0.00 C ATOM 783 NZ LYS A 61 2.874 16.909 16.456 1.00 0.00 N ATOM 0 H LYS A 61 2.409 14.064 10.372 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.311 14.874 11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.394 16.247 11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.876 17.021 11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.490 15.269 13.536 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.049 14.568 13.149 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.200 16.635 13.793 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.672 17.459 14.029 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.089 15.932 15.871 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.548 15.001 15.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.822 16.541 17.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.869 16.958 16.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.455 17.860 16.423 1.00 0.00 H new ATOM 797 N GLU A 62 -0.595 16.753 9.446 1.00 0.00 N ATOM 798 CA GLU A 62 -0.979 17.473 8.238 1.00 0.00 C ATOM 799 C GLU A 62 -1.327 18.924 8.548 1.00 0.00 C ATOM 800 O GLU A 62 -1.923 19.221 9.582 1.00 0.00 O ATOM 801 CB GLU A 62 -2.163 16.784 7.556 1.00 0.00 C ATOM 802 CG GLU A 62 -3.454 16.809 8.360 1.00 0.00 C ATOM 803 CD GLU A 62 -4.592 16.201 7.588 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.363 15.739 6.496 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.665 16.095 8.135 1.00 0.00 O ATOM 0 H GLU A 62 -1.160 16.974 10.266 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.125 17.464 7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.340 17.262 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.896 15.747 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.314 16.265 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.700 17.837 8.625 1.00 0.00 H new ATOM 915 N LYS A 69 -1.806 21.504 0.535 1.00 0.00 N ATOM 916 CA LYS A 69 -1.618 20.832 1.816 1.00 0.00 C ATOM 917 C LYS A 69 -0.196 20.306 1.958 1.00 0.00 C ATOM 918 O LYS A 69 0.419 19.875 0.982 1.00 0.00 O ATOM 919 CB LYS A 69 -2.619 19.687 1.970 1.00 0.00 C ATOM 920 CG LYS A 69 -4.073 20.131 2.064 1.00 0.00 C ATOM 921 CD LYS A 69 -5.005 18.941 2.240 1.00 0.00 C ATOM 922 CE LYS A 69 -6.459 19.383 2.328 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.384 18.227 2.475 1.00 0.00 N ATOM 0 HA LYS A 69 -1.791 21.563 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.512 19.011 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.367 19.118 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.193 20.816 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.347 20.680 1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.882 18.254 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.734 18.395 3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.583 20.057 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.722 19.946 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.364 18.571 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.285 17.597 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.151 17.704 3.343 1.00 0.00 H new ATOM 937 N ILE A 70 0.324 20.345 3.181 1.00 0.00 N ATOM 938 CA ILE A 70 1.673 19.864 3.456 1.00 0.00 C ATOM 939 C ILE A 70 1.670 18.822 4.566 1.00 0.00 C ATOM 940 O ILE A 70 1.040 19.011 5.607 1.00 0.00 O ATOM 941 CB ILE A 70 2.615 21.016 3.848 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.776 21.995 2.682 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.967 20.474 4.283 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.670 23.174 2.992 1.00 0.00 C ATOM 0 H ILE A 70 -0.169 20.705 3.998 1.00 0.00 H new ATOM 0 HA ILE A 70 2.037 19.408 2.536 1.00 0.00 H new ATOM 0 HB ILE A 70 2.175 21.552 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.182 21.459 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.792 22.364 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.620 21.303 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.836 19.816 5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.416 19.914 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.734 23.822 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.255 23.735 3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.666 22.817 3.253 1.00 0.00 H new ATOM 956 N TYR A 71 2.378 17.721 4.339 1.00 0.00 N ATOM 957 CA TYR A 71 2.369 16.598 5.269 1.00 0.00 C ATOM 958 C TYR A 71 3.767 16.316 5.805 1.00 0.00 C ATOM 959 O TYR A 71 4.764 16.555 5.123 1.00 0.00 O ATOM 960 CB TYR A 71 1.803 15.347 4.594 1.00 0.00 C ATOM 961 CG TYR A 71 0.391 15.514 4.078 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.144 16.151 2.871 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.690 15.032 4.800 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.144 16.307 2.397 1.00 0.00 C ATOM 965 CE2 TYR A 71 -1.983 15.181 4.335 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.205 15.820 3.132 1.00 0.00 C ATOM 967 OH TYR A 71 -3.490 15.971 2.663 1.00 0.00 O ATOM 0 H TYR A 71 2.966 17.582 3.517 1.00 0.00 H new ATOM 0 HA TYR A 71 1.729 16.867 6.109 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.452 15.069 3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.824 14.521 5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.973 16.531 2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.519 14.532 5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.319 16.807 1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.814 14.800 4.909 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.046 15.233 2.989 1.00 0.00 H new ATOM 977 N PHE A 72 3.834 15.806 7.031 1.00 0.00 N ATOM 978 CA PHE A 72 5.107 15.442 7.641 1.00 0.00 C ATOM 979 C PHE A 72 4.909 14.449 8.778 1.00 0.00 C ATOM 980 O PHE A 72 3.880 14.462 9.455 1.00 0.00 O ATOM 981 CB PHE A 72 5.831 16.690 8.151 1.00 0.00 C ATOM 982 CG PHE A 72 5.081 17.430 9.220 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.123 18.378 8.889 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.329 17.181 10.562 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.433 19.060 9.871 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.640 17.862 11.547 1.00 0.00 C ATOM 987 CZ PHE A 72 3.692 18.801 11.202 1.00 0.00 C ATOM 0 H PHE A 72 3.020 15.636 7.622 1.00 0.00 H new ATOM 0 HA PHE A 72 5.720 14.965 6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.807 16.399 8.540 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.009 17.363 7.313 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.915 18.585 7.850 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.070 16.446 10.840 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.691 19.796 9.598 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.844 17.658 12.588 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.153 19.333 11.972 1.00 0.00 H new ATOM 997 N ALA A 73 5.900 13.589 8.985 1.00 0.00 N ATOM 998 CA ALA A 73 5.856 12.617 10.070 1.00 0.00 C ATOM 999 C ALA A 73 6.369 13.220 11.373 1.00 0.00 C ATOM 1000 O ALA A 73 7.284 14.042 11.369 1.00 0.00 O ATOM 1001 CB ALA A 73 6.661 11.378 9.706 1.00 0.00 C ATOM 0 H ALA A 73 6.745 13.546 8.415 1.00 0.00 H new ATOM 0 HA ALA A 73 4.816 12.329 10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.618 10.662 10.527 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.244 10.925 8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.698 11.659 9.523 1.00 0.00 H new